Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805699

SCHEMBL2805699

SCHEMBL2805699

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RB1 P06400 2/20 0.52
▸ TBXA2R P21731 6/20 0.41
▸ PTGDR Q13258 3/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ MAP2K4 P45985 2/20 0.41
▸ MAP2K7 O14733 1/20 0.41
▸ ABCB11 O95342 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ CCKAR P32238 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ HTR1A P08908 3/20 0.38
▸ HTR7 P34969 3/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2803517 0.89 RB1 (0.40) RB1TBXA2RHDAC8
SCHEMBL2804951 0.89 ALDH1A1 (0.44) RB1TBXA2RPSEN1PSEN2APH1B
SCHEMBL2489862 0.89 RB1 (0.43) RB1TBXA2RPTGDRPTGDR2PSEN1
SCHEMBL2807111 0.89 KMT2A (0.50) RB1TBXA2RHTR1AHTR7DRD2
SCHEMBL2806129 0.89 KCNH2 (0.41) RB1TBXA2RPSEN1PSEN2APH1B
SCHEMBL2806632 0.88 HDAC8 (0.50) RB1MAP2K4PSEN1PSEN2APH1B
SCHEMBL2804624 0.87 KIT (0.42) RB1TBXA2RKIT
SCHEMBL2803976 0.87 TBXA2R (0.42) RB1TBXA2RHDAC8KITPAK1
SCHEMBL2809052 0.86 KIT (0.43) RB1KIT
SCHEMBL2803946 0.86 HDAC8 (0.50) RB1MAP2K4MAP2K7HDAC8PAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 RB1 78/4885TBXA2R 947/4885PTGDR 1541/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.